(4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-4-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S)-2-[(2S)-2-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(1S)-3-amino-1-[[(1S)-2-[(2S)-2-[[(1S)-2-amino-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C36H47N11O11 MolecularWeight: 809.82548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)NC(CO)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N

InChI

InChI=1S/C36H47N11O11/c1-18(49)42-24(12-20-15-39-17-41-20)33(55)43-23(8-9-30(51)52)32(54)44-25(13-29(37)50)34(56)45-26(11-19-14-40-22-6-3-2-5-21(19)22)36(58)47-10-4-7-28(47)35(57)46-27(16-48)31(38)53/h2-3,5-6,14-15,17,23-28,40,48H,4,7-13,16H2,1H3,(H2,37,50)(H2,38,53)(H,39,41)(H,42,49)(H,43,55)(H,44,54)(H,45,56)(H,46,57)(H,51,52)/t23-,24-,25-,26-,27-,28-/m0/s1